Journal ArticleDOI
Compound identification by computer matching of low resolution mass spectra.
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This article is published in Analytical Chemistry.The article was published on 1970-11-01. It has received 70 citations till now.read more
Citations
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Journal ArticleDOI
Identification of mass spectra by computer-searching a file of known spectra
Journal ArticleDOI
Screening for metabolic disorders using gas-liquid chromatography, mass spectrometry, and computer technique.
TL;DR: A system for multicomponent analyses of biological materials, using gas-liquid chromatography for separation purpose, mass spectrometry for identification and structure studies, and computer technique for data handling has resulted in the discovery of 3 new inborn errors of metabolism.
Book ChapterDOI
Quantitative Analysis of Plant Hormones
David R. Reeve,Alan Crozier +1 more
TL;DR: The relevance of such estimates to the true hormonal status of the plant at the time of extraction is open to question and will undoubtedly be an area of much future investigation as mentioned in this paper, however, in the absence of pertinent data the scope of this article will have to be confined to questions relating to the analysis of plant extracts.
Journal ArticleDOI
Rapid computerized identification of compounds in complex biological mixtures by gas chromatography—mass spectrometry
TL;DR: In this paper, a new method was developed for rapid identification of compounds in complex mixtures by gas chromatograph (mass spectrometer) computer system, which uses a Gas chromatographic retention index in conjunction with a small set of discriminating ions to identify each compound.
References
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Journal ArticleDOI
Applications of artificial intelligence for chemical inference. I. Number of possible organic compounds. Acyclic structures containing carbon, hydrogen, oxygen, and nitrogen
Joshua Lederberg,Georgia L. Sutherland,Bruce G. Buchanan,Edward A. Feigenbaum,Alexander V. Robertson,A. M. Duffield,Carl Djerassi +6 more
Journal ArticleDOI
Computer methods in analytical mass spectrometry. Identification of an unknown compound in a catalog
L. R. Crawford,J. D. Morrison +1 more
Journal ArticleDOI
Applications of artificial intelligence for chemical inference. II. Interpretation of low-resolution mass spectra of ketones
A. M. Duffield,Alexander V. Robertson,Carl Djerassi,Bruce G. Buchanan,Georgia L. Sutherland,Edward A. Feigenbaum,Joshua Lederberg +6 more
Journal ArticleDOI
Zur theoretischen Deutung der Massenspektren organischer Verbindungen
TL;DR: The Zerfallsprozesse organischer Verbindungen im Massenspektrometer lassen sich qualitativ gug verstehen, wenn im Gegensatz zu den bisherigen Anschauungen angenommen wird, das das angreifende Elektron beim Durchqueren des Molekuls die in seinem Wirkungsbereich liegenden ElektRONenorbitale zunachst anregt; dann erst erfolgt
Journal ArticleDOI
Comparisons of Spectra from Different Types of Mass Spectrometers
TL;DR: In this paper, a comparison of the cracking patterns of various compounds taken on different types of mass spectrometers shows large differences, and this is to be expected, particularly when comparing 180° with 60° or 90° instruments.
Related Papers (5)
Identification of mass spectra by computer-searching a file of known spectra
Computer methods in analytical mass spectrometry. Identification of an unknown compound in a catalog
L. R. Crawford,J. D. Morrison +1 more